COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.755   0.177   2.526  1.00  0.00           C  
HETATM    2  C   UNL     1       6.556   0.601   1.482  1.00  0.00           C  
HETATM    3  C   UNL     1       5.981   1.053   0.309  1.00  0.00           C  
HETATM    4  C   UNL     1       7.292   0.099  -2.006  1.00  0.00           C  
HETATM    5  C   UNL     1       2.304   0.687   1.082  1.00  0.00           C  
HETATM    6  C   UNL     1       0.487  -0.796   0.310  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.689  -0.039   0.381  1.00  0.00           C  
HETATM    8  C   UNL     1       1.001  -3.110  -0.559  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.584   0.971   0.690  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.961   0.745   0.581  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.497  -0.478   0.966  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.056   2.600  -0.549  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.196   1.965  -1.345  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.819   0.850  -0.543  1.00  0.00           C  
HETATM   15  C   UNL     1       4.605   1.081   0.180  1.00  0.00           C  
HETATM   16  C   UNL     1       3.804   0.656   1.223  1.00  0.00           C  
HETATM   17  C   UNL     1       4.378   0.206   2.397  1.00  0.00           C  
HETATM   18  S   UNL     1       7.002   1.594  -1.021  1.00  0.00           S  
HETATM   19  O   UNL     1       6.188   2.513  -1.737  1.00  0.00           O  
HETATM   20  O   UNL     1       8.204   2.017  -0.391  1.00  0.00           O  
HETATM   21  N   UNL     1       1.839  -0.588   0.530  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.396   0.155   0.596  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.147  -1.176  -0.122  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.322  -2.166  -0.430  1.00  0.00           C  
HETATM   25  C   UNL     1       0.034  -2.005  -0.221  1.00  0.00           C  
HETATM   26  F   UNL     1       1.915  -2.653  -1.516  1.00  0.00           F  
HETATM   27  F   UNL     1       1.690  -3.496   0.595  1.00  0.00           F  
HETATM   28  F   UNL     1       0.298  -4.205  -1.072  1.00  0.00           F  
HETATM   29  C   UNL     1      -4.793   1.744   0.093  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.854  -0.702   0.857  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.685   0.296   0.364  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.151   1.520  -0.015  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.063   0.071   0.254  1.00  0.00           N  
HETATM   34  O   UNL     1     -10.013   0.650  -0.620  1.00  0.00           O  
HETATM   35  H   UNL     1       6.204  -0.181   3.441  1.00  0.00           H  
HETATM   36  H   UNL     1       7.631   0.579   1.584  1.00  0.00           H  
HETATM   37  H   UNL     1       6.339  -0.294  -2.359  1.00  0.00           H  
HETATM   38  H   UNL     1       7.923   0.343  -2.861  1.00  0.00           H  
HETATM   39  H   UNL     1       7.789  -0.651  -1.391  1.00  0.00           H  
HETATM   40  H   UNL     1       1.850   0.846   2.060  1.00  0.00           H  
HETATM   41  H   UNL     1       2.018   1.498   0.413  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.257   1.837   0.983  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.851  -1.254   1.349  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.485   3.264  -1.198  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.468   3.172   0.283  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.952   2.720  -1.560  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.806   1.566  -2.281  1.00  0.00           H  
HETATM   48  H   UNL     1       4.156   1.435  -0.736  1.00  0.00           H  
HETATM   49  H   UNL     1       3.753  -0.130   3.211  1.00  0.00           H  
HETATM   50  H   UNL     1       2.478  -1.287   0.319  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.706  -3.089  -0.839  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.378   2.697  -0.202  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.271  -1.653   1.156  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.476  -0.650   0.755  1.00  0.00           H  
CONECT    1    2    2   17   35                                       
CONECT    2    1    1    3   36                                       
CONECT    3    2   18   15   15                                       
CONECT    4   18   37   38   39                                       
CONECT    5   16   21   40   41                                       
CONECT    6   21   22   22   25                                       
CONECT    7   22    9   23   23                                       
CONECT    8   27   26   25   28                                       
CONECT    9   10    7   42                                            
CONECT   10   11    9   29   29                                       
CONECT   11   30   30   10   43                                       
CONECT   12   32   13   44   45                                       
CONECT   13   14   12   46   47                                       
CONECT   14   33   34   34   13                                       
CONECT   15    3    3   16   48                                       
CONECT   16   17   17   15    5                                       
CONECT   17    1   16   16   49                                       
CONECT   18    4    3   19   19                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21    5    6   50                                            
CONECT   22    6    6    7                                            
CONECT   23    7    7   24                                            
CONECT   24   25   25   23   51                                       
CONECT   25    6    8   24   24                                       
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29   10   10   32   52                                       
CONECT   30   11   11   31   53                                       
CONECT   31   30   33   32   32                                       
CONECT   32   31   31   29   12                                       
CONECT   33   31   14   54                                            
CONECT   34   14   14                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
